N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide

C16H19N3O4 — CID 36505080

IUPACN-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)NCCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H19N3O4/c1-22-13-5-2-4-12(10-13)11-19-16(21)18-8-7-17-15(20)14-6-3-9-23-14/h2-6,9-10H,7-8,11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyKPNITQIIBCLMJA-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.52
Rot. Bonds7

About N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide

N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 36505080) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
PubChem CID36505080
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)NCCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H19N3O4/c1-22-13-5-2-4-12(10-13)11-19-16(21)18-8-7-17-15(20)14-6-3-9-23-14/h2-6,9-10H,7-8,11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyKPNITQIIBCLMJA-UHFFFAOYSA-N
XLogP1.52
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
N-[2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111250531
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide (CID 36505080) is N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide is COc1cccc(CNC(=O)NCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is KPNITQIIBCLMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-13-5-2-4-12(10-13)11-19-16(21)18-8-7-17-15(20)14-6-3-9-23-14/h2-6,9-10H,7-8,11H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 36505080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).